2,6-dibromopyridin-4-amine

• ChemBase ID: 64732
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: n1c(cc(cc1Br)N)Br
• Canonical SMILES: Nc1cc(Br)nc(c1)Br
• InChI: InChI=1S/C5H4Br2N2/c6-4-1-3(8)2-5(7)9-4/h1-2H,(H2,8,9)
• InChIKey: NTFZVUOMTODHRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromopyridin-4-amine
• IUPAC Traditional name: 2,6-dibromopyridin-4-amine
• Synonyms: 2,6-Dibromopyridin-4-amine; 4-Amino-2,6-dibromopyridine; 2,6-Dibromopyridin-4-amine

Database IDs

• CAS Number: 39771-34-1
• MDL Number: MFCD00234047
• PubChem SID: 162030471
• PubChem CID: 14091041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8751285
• LogD (pH = 7.4): 1.8751959
• Log P: 1.8751967
• Molar Refractivity: 45.5315 cm^3
• Polarizability: 16.697725 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 98%